SCHEMBL6458058

SCHEMBL6458058

CCC1CCC2CC(c3ccc4cc(OC(F)F)ccc4c3)CCC2C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.40
SLC6A2 P23975 10/20 0.40
SLC6A3 Q01959 10/20 0.40
IDO1 P14902 1/20 0.36
ABL1 P00519 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP17A1 P05093 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PDE2A O00408 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
DRD2 P14416 1/20 0.32
RAB9A P51151 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6458055 1.00 SLC6A4 (0.40) SLC6A4SLC6A2SLC6A3IDO1ABL1
SCHEMBL6456364 0.91 SLC6A4 (0.37) SLC6A4SLC6A2SLC6A3IDO1ABL1
SCHEMBL6456369 0.91 SLC6A4 (0.37) SLC6A4SLC6A2SLC6A3IDO1ABL1
SCHEMBL6453657 0.89 SLC6A4 (0.35) SLC6A4SLC6A2SLC6A3IDO1ABL1
SCHEMBL6453652 0.89 SLC6A4 (0.35) SLC6A4SLC6A2SLC6A3IDO1ABL1
SCHEMBL6452428 0.88 SLC6A4 (0.35) SLC6A4SLC6A2SLC6A3IDO1ABL1
SCHEMBL6452437 0.88 SLC6A4 (0.35) SLC6A4SLC6A2SLC6A3IDO1ABL1
SCHEMBL6459531 0.87 SLC6A4 (0.34) SLC6A4SLC6A2SLC6A3IDO1ABL1
SCHEMBL6459638 0.87 SLC6A4 (0.34) SLC6A4SLC6A2SLC6A3IDO1ABL1
SCHEMBL6459534 0.87 SLC6A4 (0.34) SLC6A4SLC6A2SLC6A3IDO1ABL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6913797-B1 Decahydronaphthalene derivative DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-07-05 US disclosed
EP-1108700-A1 DECAHYDRONAPHTHALENE DERIVATIVE DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-06-20 EP disclosed